Pyridoxal Isonicotinoyl Hydrazone - CAS 737-86-0

Name: Pyridoxal Isonicotinoyl Hydrazone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB057952
Product Name:	Pyridoxal Isonicotinoyl Hydrazone
CAS:	737-86-0
Synonyms:	2-[[3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylene]hydrazide-4-pyridinecarboxylic Acid; [[3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methylene]hydrazideisonicotinic Acid; NSC 77674; PIH

Technical Data

IUPAC Name:	N-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylideneamino]pyridine-4-carboxamide
Description:	Pyridoxal Isonicotinoyl Hydrazone is a cell-permeable non-toxic iron chelator of the aroyl hydrazone class.
Molecular Weight:	286.29
Molecular Formula:	C14H14N4O3
Canonical SMILES:	CC1=NC=C(C(=C1O)C=NNC(=O)C2=CC=NC=C2)CO
InChI:	InChI=1S/C14H14N4O3/c1-9-13(20)12(11(8-19)6-16-9)7-17-18-14(21)10-2-4-15-5-3-10/h2-7,19-20H,8H2,1H3,(H,18,21)/b17-7+
InChI Key:	BQYIXOPJPLGCRZ-REZTVBANSA-N

Complexity:	371
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	286.10659032
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	286.10659032
Rotatable Bond Count:	4
Topological Polar Surface Area:	108Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1